| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:19 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154268 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO6S |
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| Molecular Mass | 323.0464 |
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| SMILES | COc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1O |
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| InChI Key | MVZJQMXVQWIITI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | sulfanilides |
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| Direct Parent | sulfanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaminosulfonyl compoundsanisolesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativesmethoxybenzenearomatic homomonocyclic compoundsulfanilidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolephenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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